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Substance Name: Quinolinium, 1-ethyl-6-((p-(p-((1-ethylpyridinium-3-yl)formamido)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate
RN: 68771-54-0
InChIKey: XYUOHBNTMLENOQ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C33-H31-N5-O3.2C7-H7-O3-S

Molecular Weight

  • 888.0305
 
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Names and Synonyms

  • Quinolinium, 1-ethyl-6-((p-(p-((1-ethylpyridinium-3-yl)formamido)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 68771-54-0

System Generated Number

  • 0068771540

Molecular Formulas

Molecular Formula

  • C33-H31-N5-O3.2C7-H7-O3-S

Molecular Formula Fragments

  • C33-H31-N5-O3
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C33H29N5O3.2C7H8O3S/c1-3-37-19-5-8-26(22-37)33(41)35-28-15-13-27(14-16-28)34-31(39)23-9-11-24(12-10-23)32(40)36-29-17-18-30-25(21-29)7-6-20-38(30)4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-22H,3-4H2,1-2H3,(H-2,34,35,36,39,40,41);2*2-5H,1H3,(H,8,9,10)

InChIKey

XYUOHBNTMLENOQ-UHFFFAOYSA-N

Smiles

CC[n+]1cccc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(cc3)C(=O)Nc4ccc5c(c4)ccc[n+]5CC.Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 6mg/kg (6mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.